8-Oxyguanine
[CAS# 82014-86-6]

Identification

• Name: 8-Oxyguanine
• Synonyms: 2-Amino-3H-Purine-6,8-Quinone; Chebi:44605; 8-Oxoguanine
• Molecular Formula: C₅H₃N₅O₂
• Molecular Weight: 165.11
• CAS Registry Number: 82014-86-6
• SMILES: O=C1N=C(NC2=NC(=O)N=C12)N
• InChI: 1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
• InChIKey: UBKVUFQGVWHZIR-UHFFFAOYSA-N

Properties

• Density: 2.495g/cm³ (Cal.)
• Boiling point: 327.691°C at 760 mmHg (Cal.)
• Flash point: 151.982°C (Cal.)

References

• (1): Davis Jeffery T.. Supramolecular architectures generated by self-assembly of guanosine derivatives, Chemical Society Reviews, 2007